4-Methyl-2-Oxo-2H-Chromen-7-Yl (6R)-5-Acetamido-3,5-Dideoxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-β-L-Threo-Hex-2-Ulopyranosidonic Acid

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Properties Simple | Detailed

Formula C21H25NO11
IUPAC Name (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(4-methyl-2-oxo-chromen-7-yl)oxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 467.423 g·mol−1
Heat of Formation -1885.6 ± 16.7 kJ·mol−1
Dipole Moment 8.44 ± 1.08 D
Volume 516.02 Å 3
Surface Area 421.26 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(2-keto-4-methyl-chromen-7-yl)oxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(4-methyl-2-oxo-chromen-7-yl)oxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(4-methyl-2-oxo-chromen-7-yl)oxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-[(4-methyl-2-oxo-7-chromenyl)oxy]-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • 4-methyl-2-oxo-2h-chromen-7-yl 5-(acetylamino)-3,5-dideoxy-l-erythro-non-2-ulopyranosidonic acid
  • methylumbelliferyl sialic acid
  • mus
InChIKey KKDWIUJBUSOPGC-GKHMPSLRSA-N
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